3-azanyl-2-(2-diethylaminoethyl)-6-fluoranyl-5-methyl-4-(9-oxidanylidenethioxanthen-4-yl)benzenesulfonamide

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-6-fluoranyl-5-methyl-4-(9-oxidanylidenethioxanthen-4-yl)benzenesulfonamide Openeye Name: 3-amino-2-(2-diethylaminoethyl)-6-fluoro-5-methyl-4-(9-oxothioxanthen-4-yl)benzenesulfonamide CAS Name: 3-amino-2-(2-diethylaminoethyl)-6-fluoro-5-methyl-4-(9-oxo-4-thioxanthenyl)benzenesulfonamide IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-6-fluoro-5-methyl-4-(9-oxothioxanthen-4-yl)benzenesulfonamide Traditional Name: 3-amino-2-(2-diethylaminoethyl)-6-fluoro-4-(9-ketothioxanthen-4-yl)-5-methyl-benzenesulfonamide Formula: C26H28FN3O3S2 MolecularWeight: 513.647223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=C(C(=C1S(=O)(=O)N)F)C)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)N

Isomeric SMILES

CCN(CC)CCC1=C(C(=C(C(=C1S(=O)(=O)N)F)C)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)N

InChI

InChI=1S/C26H28FN3O3S2/c1-4-30(5-2)14-13-18-23(28)21(15(3)22(27)26(18)35(29,32)33)17-10-8-11-19-24(31)16-9-6-7-12-20(16)34-25(17)19/h6-12H,4-5,13-14,28H2,1-3H3,(H2,29,32,33)